N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide

C17H19N3O4 — CID 3584762

IUPACN-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C17H19N3O4/c1-2-23-14-7-5-13(6-8-14)19-16(21)9-10-17(22)20-18-12-15-4-3-11-24-15/h3-8,11-12H,2,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyQNWPNOQDDRBRPD-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.55
Rot. Bonds8

About N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide

N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide (PubChem CID 3584762) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
PubChem CID3584762
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccco2)cc1
InChIInChI=1S/C17H19N3O4/c1-2-23-14-7-5-13(6-8-14)19-16(21)9-10-17(22)20-18-12-15-4-3-11-24-15/h3-8,11-12H,2,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyQNWPNOQDDRBRPD-UHFFFAOYSA-N
XLogP2.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 4164018
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3289300
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304
N-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-yl)propanamide
CID 26242410
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
N-[(E)-furan-2-ylmethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6896656

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide (CID 3584762) is N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide is CCOc1ccc(NC(=O)CCC(=O)NN=Cc2ccco2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
The InChIKey is QNWPNOQDDRBRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-23-14-7-5-13(6-8-14)19-16(21)9-10-17(22)20-18-12-15-4-3-11-24-15/h3-8,11-12H,2,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide has a molecular weight of 329.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide is sourced from PubChem (CID 3584762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).